Methyl 2-((3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)thio)acetate CAS 461431-84-5

Purity 97%+In StockPharmaceutical Standards
CAS No.461431-84-5
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 2-((3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)thio)acetate CAS 461431-84-5 chemical structure

Description

The occurrence of Methyl 2-((3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)thio)acetate is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Methyl 2-((3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)thio)acetate (CAS 461431-84-5) is a high-purity analytical reference standard with the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol.

Methyl 2-((3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)thio)acetate (C6H6F3N3O2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), Methyl 2-((3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)thio)acetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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